An experimental study of decoupling sequences for multiple-quantum and high-resolution MAS experiments in solid-state NMR

2008 ◽  
Vol 46 (2) ◽  
pp. 166-169 ◽  
Author(s):  
Rajendra Singh Thakur ◽  
Narayanan D. Kurur ◽  
P. K. Madhu
Keyword(s):  
Experimental Study ◽  
Solid State ◽  
High Resolution ◽  
Solid State Nmr ◽  
Multiple Quantum

Obtaining accurate chemical shifts for all magnetic nuclei (1H, 13C, 17O, and 27Al) in tris(2,4-pentanedionato-O,O′)aluminium(III) — A solid-state NMR case study

2011 ◽  
Vol 89 (9) ◽  
pp. 1087-1094 ◽  
Author(s):  
Alan Wong ◽  
Mark E. Smith ◽  
Victor Terskikh ◽  
Gang Wu
Keyword(s):  
Solid State ◽  
High Resolution ◽  
Solid State Nmr ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Dft Method ◽  
Magic Angle Spinning ◽  
Magic Angle ◽  
Multiple Quantum ◽  
Isotropic Chemical Shifts

We report a complete set of high-resolution solid-state NMR spectra for all magnetic nuclei (1H, 13C, 17O, and 27Al) in the α-form of tris(2,4-pentanedionato-O,O′)aluminium(III), α-Al(acac)3. These high-resolution NMR spectra were obtained by using a host of solid-state NMR techniques: standard cross-polarization under the magic-angle spinning (CPMAS) method for 13C, 1-D homonuclear decoupling using the windowed DUMBO sequence for 1H, double-rotation (DOR) for 17O and 27Al, and multiple-quantum MAS for 27Al. Some experiments were performed at multiple magnetic fields. We show that the isotropic chemical shifts obtained for 1H, 13C, 17O, and 27Al nuclei in α-Al(acac)3 are highly resolved and accurate, regardless of the nature of the targeted nuclear spins (i.e., spin-1/2 or quadrupolar) and, as such, can be treated equally in comparison with computational chemical shifts obtained from a gauge-including projector-augmented wave (GIPAW) plane-wave pseudopotential DFT method.

scholarly journals Combination of solid state NMR and DFT calculation to elucidate the state of sodium in hard carbon electrodes

2016 ◽  
Vol 4 (34) ◽  
pp. 13183-13193 ◽  
Author(s):  
Ryohei Morita ◽  
Kazuma Gotoh ◽  
Mika Fukunishi ◽  
Kei Kubota ◽  
Shinichi Komaba ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Dft Calculation ◽  
Magic Angle Spinning ◽  
The State ◽  
Mas Nmr ◽  
Magic Angle ◽  
Multiple Quantum ◽  
Hard Carbon ◽  
Angle Spinning

We examined the state of sodium electrochemically inserted in HC prepared at 700–2000 °C using solid state Na magic angle spinning (MAS) NMR and multiple quantum (MQ) MAS NMR.

High-resolution solid-state NMR of carbon bonded to deuterium

1987 ◽  
Vol 73 (2) ◽  
pp. 239-243 ◽  
Author(s):  
Scott D Swanson ◽  
S Ganapathy ◽  
Robert G Bryant
Keyword(s):  
Solid State ◽  
High Resolution ◽  
Solid State Nmr
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